SCHEMBL18209057

SCHEMBL18209057

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnc2ccc(N3CCOCC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.47
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ JAK1 P23458 1/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18209054 1.00 NTRK1 (0.47) NTRK1TP53THRBJAK1IRAK4
SCHEMBL18208268 0.93 NTRK1 (0.45) NTRK1JAK1IRAK4CHRM4TGFBR1
SCHEMBL18208271 0.93 NTRK1 (0.45) NTRK1JAK1IRAK4CHRM4TGFBR1
SCHEMBL18208863 0.91 IRAK4 (0.43) NTRK1JAK1IRAK4CHRM4TGFBR1
SCHEMBL18208864 0.91 IRAK4 (0.43) NTRK1JAK1IRAK4CHRM4TGFBR1
SCHEMBL18208206 0.86 NTRK1 (0.47) NTRK1CHRM4TGFBR1POLBHPGD
SCHEMBL18208209 0.86 NTRK1 (0.47) NTRK1CHRM4TGFBR1POLBHPGD
SCHEMBL18209028 0.85 NTRK1 (0.47) NTRK1CHRM4TGFBR1POLBHPGD
SCHEMBL18209026 0.85 NTRK1 (0.47) NTRK1CHRM4TGFBR1POLBHPGD
SCHEMBL18208477 0.84 NTRK1 (0.51) NTRK1CHRM4TGFBR1POLBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S NTRK1 3217/4885TP53 24/4885THRB 2649/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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